CAS号:23513-14-6-6-姜辣素：6-姜酚

1. 主信息

英文名:	Gingerol
中文名:	6-姜辣素：6-姜酚
CAS编号:	23513-14-6
化学分子式：	C₁₇H₂₆O₄
化学分子量：	294.4 g/mol
SMILES：	CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
来源：	姜
结构类型：	简单酚类化合物
其它名称或标识：	(6)-gingerol 10-gingerol 6-gingerol gingerol

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	288	点击购买	-20℃,避光	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 47 47 0 1 0 0 0 0 0999 V2000 3.6966 1.8593 -0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 1.1038 -1.6014 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5607 -2.0581 -0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8933 -0.0103 1.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4402 -0.3104 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 0.4810 -0.2080 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8090 -0.1047 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 0.3258 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9416 -0.8553 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8114 0.7074 -0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3194 -0.6018 -0.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 0.5285 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7011 0.8597 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0859 0.6243 -0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4122 -1.3128 0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6962 -0.6205 -0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7546 1.6519 0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9752 -0.8380 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0337 1.4345 0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 0.1896 0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8098 -3.0539 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 -1.3776 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5064 0.0170 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2854 0.1346 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7607 -0.4312 -1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0576 0.9633 -0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 0.9534 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -0.7210 0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7269 -1.9310 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9579 -0.5564 1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5285 0.4741 -0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3324 -0.9473 -1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 -0.5139 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 1.1692 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6111 1.9054 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5707 0.2665 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7766 2.1751 0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2472 -2.3949 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3893 -1.1219 0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4451 -0.9607 1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1265 -1.3809 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2884 2.6254 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5431 2.2437 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1979 0.8096 1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4268 -3.9580 -0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8924 -3.3149 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6169 -2.7654 -1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 37 1 0 0 0 0 2 10 2 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 20 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 17 19 2 0 0 0 0 17 42 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one

4.2 InChl

InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1

4.3 InChlKey

NLDDIKRKFXEWBK-AWEZNQCLSA-N

4.4 Canonical SMILES

CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O

4.5 lsomeric SMILES

CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 21 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.33013 5.5 0 0
M  V30 2 C 3.4641 6 0 0
M  V30 3 C 2.59808 5.5 0 0
M  V30 4 C 2.59808 4.5 0 0
M  V30 5 C 1.73205 4 0 0
M  V30 6 C 1.73205 3 0 0
M  V30 7 C 0.866025 2.5 0 0
M  V30 8 C 0.866025 1.5 0 0
M  V30 9 O 2.498e-15 1 0 0
M  V30 10 C 1.73205 1 0 0
M  V30 11 C 1.73205 -3.44169e-15 0 0
M  V30 12 C 0.866025 -0.5 0 0
M  V30 13 C 0.866025 -1.5 0 0
M  V30 14 C -3.21965e-15 -2 0 0
M  V30 15 C -0.866025 -1.5 0 0
M  V30 16 C -0.866025 -0.5 0 0
M  V30 17 C -0 -0 0 0
M  V30 18 O -1.73205 -2 0 0
M  V30 19 O -4.66294e-15 -3 0 0
M  V30 20 C -0.866025 -3.5 0 0
M  V30 21 O 2.59808 2.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 6 21
M  V30 8 1 7 8
M  V30 9 2 8 9
M  V30 10 1 8 10
M  V30 11 1 10 11
M  V30 12 1 11 12
M  V30 13 1 12 17
M  V30 14 2 12 13
M  V30 15 1 13 14
M  V30 16 2 14 15
M  V30 17 1 14 19
M  V30 18 1 15 16
M  V30 19 1 15 18
M  V30 20 2 16 17
M  V30 21 1 19 20
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
丁公藤	Stem of Taiwan Erycibe	Caulis Erycibes
豆蔻	Round Cardamon Fruit	Fructus Amomi Rotundus
干姜	Dried Ginger	Rhizoma Zingiberis
黑姜	Prepared Ginger	Rhizoma Zingiberis Recens Preparata
姜皮	Ginger peel	Cortex Zingiberis
姜叶	Caulis et Folium Zingiberis officinali	-
女贞子	fruit of Glossy privet	Fructus Ligustri lucidi
炮姜	Prepared Ginger	Rhizoma Zingiberis Praeparata
生姜	Fresh Ginger	Rhizoma Zingiberis Recens
生姜汁	-	-

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称	疾病类型	参考文献
Pain	phenotype	28043879

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